4-Hexenoic acid
TL;DR: 4-Hexenoic acid (CAS 35194-36-6) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hex-4-enoic acid
Also Known As: 4-Hexenoic acid, Hex-4-enoic acid, Hex-4-ensaeure, trans-hex-4-enoic acid, 4-hexenoic acid, (4E)-
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.06808 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.06808 Da |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
| SMILES | CC=CCCC(=O)O |
| InChIKey | NIDHFQDUBOVBKZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hexenoic acid
Property Insights of 4-Hexenoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hexenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexenoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Hexenoic acid?
The CAS number of 4-Hexenoic acid is 35194-36-6.
What is the molecular formula of 4-Hexenoic acid?
The molecular formula of 4-Hexenoic acid is C6H10O2.
What is the molecular weight of 4-Hexenoic acid?
The molecular weight of 4-Hexenoic acid is 114.06808 g/mol.
Where can I buy 4-Hexenoic acid?
You can request a quote for 4-Hexenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hexenoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Hexenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.